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Data & Analytics · RDKit · By GPTomics
1 skill found.
Skills
| # | Skill | Repository | Stars | Used in | Tokens | Auto-check | Licence | Updated |
|---|---|---|---|---|---|---|---|---|
| 1 | Builds QSAR / QSPR models using chemprop D-MPNN, MolFormer, Uni-Mol, ChemBERTa, random forest baselines, and Gaussian processes with explicit handling of OECD 5 principles, applicability domain… | GPTomics/ | 1.2k | 2 repos | ~5.5k | Automated safety check: Pass | MIT | 1 mo ago |
